Fernando
Jiménez Grávalos
Profesor sustituto
Publications (8) Fernando Jiménez Grávalos publications
2021
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A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy
Journal of Chemical Theory and Computation, Vol. 17, Núm. 8, pp. 4981-4995
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Challenging the electrostatic σ-hole picture of halogen bonding using minimal models and the interacting quantum atoms approach
Journal of Computational Chemistry, Vol. 42, Núm. 10, pp. 676-687
2020
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DFT performance in the IQA energy partition of small water clusters
Theoretical Chemistry Accounts, Vol. 139, Núm. 1
2019
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Electron-pair bonding in real space. Is the charge-shift family supported?
Chemical Communications, Vol. 55, Núm. 35, pp. 5071-5074
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Fluorine conformational effects characterized by energy decomposition analysis
Physical Chemistry Chemical Physics, Vol. 21, Núm. 45, pp. 25258-25275
2018
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Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools
Journal of Physical Chemistry A, Vol. 122, Núm. 3, pp. 849-858
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Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions
ChemPhysChem, Vol. 19, Núm. 24, pp. 3425-3435
2017
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Lattice-Solvent Effects in the Spin-Crossover of an Fe(II)-Based Material. the Key Role of Intermolecular Interactions between Solvent Molecules
Inorganic Chemistry, Vol. 56, Núm. 8, pp. 4474-4483